3819-1340 Screening compound: N-[2-(4-chlorophenoxy)ethyl]-5-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-2-nitroaniline

3819-1340 Screening compound: N-[2-(4-chlorophenoxy)ethyl]-5-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-2-nitroaniline
3819-1340 Screening compound: N-[2-(4-chlorophenoxy)ethyl]-5-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3819-1340
N-[2-(4-chlorophenoxy)ethyl]-5-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-2-nitroaniline

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3819-1340

Molecular Formula

C25H27ClN4O5S (C25 H27 ClN4 O5 S)

Compound Name

N-[2-(4-chlorophenoxy)ethyl]-5-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-2-nitroaniline

IUPAC name

N-[2-(4-chlorophenoxy)ethyl]-5-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-2-nitroaniline

SMILES

Cc(cc1)ccc1S(N(CC1)CCN1c(cc1)cc(NCCOc(cc2)ccc2Cl)c1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C25H27ClN4O5S/c1-19-2-9-23(10-3-19)36(33,34)29-15-13-28(14-16-29)21-6-11-25(30(31)32)24(18-21)27-12-17-35-22-7-4-20(26)5-8-22/h2-11,18,27H,12-17H2,1H3

InChI Key

VFNGJXCALPIRCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02625963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.03

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.847

Distribution Coefficient, logD

5.847

Water Solubility, LogSw

-6.07

Polar Surface Area

85.086

Acid Dissociation Constant (pKa)

17.33

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with 3819-1340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3819-1340?
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What is the minimum amount of 3819-1340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3819-1340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3819-1340
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3819-1340 available by request